Geometry & MOs

Info

ID:	369145
PubChem CID:	127331378
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	301.142641
ΔH_f, kcal/mol:	-19.5
Dipole, Da:	7.14
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(oxan-3-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCCC(C3)CC4=NOC(=N4)C

DOS

IR

Vibrations